N-[(2S)-1-[[(2R)-1-[[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]hexadecanamide

Systemtic Name: N-[(2S)-1-[[(2R)-1-[[(2S)-1-azanyl-3-(1H-indol-3-yl)-1-oxidanylidene-propan-2-yl]amino]-1-oxidanylidene-3-phenyl-propan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxidanylidene-propan-2-yl]hexadecanamide Openeye Name: N-[(1S)-2-[[(1R)-2-[[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-oxo-ethyl]amino]-1-benzyl-2-oxo-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-oxo-ethyl]hexadecanamide CAS Name: N-[(2S)-1-[[(2R)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]hexadecanamide IUPAC Name: N-[(2S)-1-[[(2R)-1-[[(2S)-1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]hexadecanamide Traditional Name: N-[(1S)-2-[[(1R)-2-[[(1S)-2-amino-1-(1H-indol-3-ylmethyl)-2-keto-ethyl]amino]-1-benzyl-2-keto-ethyl]amino]-1-(1H-imidazol-5-ylmethyl)-2-keto-ethyl]palmitamide Formula: C42H59N7O4 MolecularWeight: 725.96236

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCC(=O)NC(CC1=CN=CN1)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(CC3=CNC4=CC=CC=C43)C(=O)N

Isomeric SMILES

CCCCCCCCCCCCCCCC(=O)N[C@@H](CC1=CN=CN1)C(=O)N[C@H](CC2=CC=CC=C2)C(=O)N[C@@H](CC3=CNC4=CC=CC=C43)C(=O)N

InChI

InChI=1S/C42H59N7O4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17-24-39(50)47-38(27-33-29-44-30-46-33)42(53)49-37(25-31-20-15-14-16-21-31)41(52)48-36(40(43)51)26-32-28-45-35-23-19-18-22-34(32)35/h14-16,18-23,28-30,36-38,45H,2-13,17,24-27H2,1H3,(H2,43,51)(H,44,46)(H,47,50)(H,48,52)(H,49,53)/t36-,37+,38-/m0/s1